add restricted_localpdistinds(): like localpdistinds, but only on sel…

…ected atoms

src/pairdists.jl

@@ -73,6 +73,20 @@ end
 
 localpdistinds(coords::Vector, radius) = localpdistinds(hcat(coords), radius)
 
+""" restricted_localpdistinds(coords, radius, atoms)
+
+Like `localdists`, but consider only the atoms with index in `atoms`
+"""
+function restricted_localpdistinds(coords, radius, atoms)
+    rc = reshape(reshape(coords, 3, :, size(coords, 2))[:, atoms, :], :, size(coords, 2))
+    @show size(rc)
+    pairs = localpdistinds(rc, radius)
+    map(pairs) do (a, b)
+        (atoms[a], atoms[b])
+    end
+end
+
+
 """
     pdists(coords::AbstractArray, inds::Vector{<:Tuple})